Structure of PDB 6tjl Chain A Binding Site BS03

Receptor Information
>6tjl Chain A (length=217) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTLTLSPNLIGFNSNEGEKLLLTSRSREDFFPLSMQFVTQVNQAYSGVAS
IIMVLNSLGINAPETAQYSPYRVFTQDNFFSNEKTKAVIAPEVVARQGMT
LDELGRLIASYGVKVKVNHASDTNIEDFRKQVAENLKQDGNFVIVNYLRK
EIGQERGGHISPLAAYNEQTDRFLIMDVSRYKYPPVWVKTTDLWKAMNTV
DSVSQKTRGFVFVSKTQ
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain6tjl Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6tjl Mature primitive pytochelatin synthase Alr0975 from Nostoc species bound to glutathione
Resolution1.87 Å
Binding residue
(original residue number in PDB)		Q64 Q67 A68 S70 Q121 G122 M123 N170 R173 G182 H183 S203 K206 D225 R232
Binding residue
(residue number reindexed from 1)		Q40 Q43 A44 S46 Q97 G98 M99 N146 R149 G158 H159 S179 K182 D201 R208
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.15: glutathione gamma-glutamylcysteinyltransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016756 glutathione gamma-glutamylcysteinyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0010038 response to metal ion
GO:0046938 phytochelatin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6tjl, PDBe:6tjl, PDBj:6tjl
PDBsum6tjl
PubMed
UniProtQ8YY76

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